CAS 857005-14-2

4-Bromo-2-(phenylmethyl)benzoic acid

Description:

4-Bromo-2-(phenylmethyl)benzoic acid is an organic compound characterized by its aromatic structure, which includes a bromine substituent and a phenylmethyl group attached to a benzoic acid framework. The presence of the bromine atom introduces significant electronegativity, influencing the compound's reactivity and solubility. This compound typically exhibits moderate solubility in organic solvents, while its carboxylic acid functional group can engage in hydrogen bonding, enhancing its solubility in polar solvents. The phenylmethyl group contributes to the compound's hydrophobic character, affecting its overall polarity. In terms of applications, compounds like 4-Bromo-2-(phenylmethyl)benzoic acid may be utilized in pharmaceutical research, particularly in the development of new drugs or as intermediates in organic synthesis. Its unique structural features can also make it a subject of study in materials science or as a potential ligand in coordination chemistry. Safety data should be consulted for handling, as brominated compounds can pose health risks.

Formula: C₁₄H₁₁BrO₂

InChI: InChI=1S/C14H11BrO2/c15-12-6-7-13(14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)

InChI key: InChIKey=OUGBMNAFMFKNSR-UHFFFAOYSA-N

SMILES: C(C1=C(C(O)=O)C=CC(Br)=C1)C2=CC=CC=C2

Synonyms:

• o-Toluic acid, 4-bromo-α-phenyl-
• Benzoic acid, 4-bromo-2-(phenylmethyl)-
• 4-Bromo-2-(phenylmethyl)benzoic acid